Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key MPAYEWNVIPXRDP-UHFFFAOYSA-N
Smiles NC=C;[NH3+]C=C.O=C1OC(=O)C=C1
InChI
InChI=1S/C2H5N/c1-2-3/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N1
Molecular Weight 43.04
AlogP 0.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.85
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 26336-38-9
NORMAN SUSDAT